ethyl 3-[2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S2/c1-2-25-15(21)9-10-19-11-5-3-4-6-12(11)27-17(19)18-16(22)13-7-8-14(26-13)20(23)24/h3-8H,2,9-10H2,1H3